N-({5-[(4-phenylphenyl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide

• ChemBase ID: 372369
• Molecular Formular: C22H24N4O
• Molecular Mass: 360.45216
• Monoisotopic Mass: 360.19501141
• SMILES: n12c(cc(n1)CNC(=O)C)CN(CC2)Cc1ccc(c2ccccc2)cc1
• Canonical SMILES: CC(=O)NCc1nn2c(c1)CN(CC2)Cc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C22H24N4O/c1-17(27)23-14-21-13-22-16-25(11-12-26(22)24-21)15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-10,13H,11-12,14-16H2,1H3,(H,23,27)
• InChIKey: KARZSTLDQVOTGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({5-[(4-phenylphenyl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide
• IUPAC Traditional name: N-({5-[(4-phenylphenyl)methyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)acetamide
• Synonyms: N-{[5-(biphenyl-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.258983
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8474606
• LogD (pH = 7.4): 2.2995956
• Log P: 2.4887643
• Molar Refractivity: 118.5564 cm^3
• Polarizability: 42.526436 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.49
• LOG S: -3.1
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5